3ITN
 
 | | Crystal structure of Pseudo-activated Procaspase-3 | | Descriptor: | ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3 | | Authors: | Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C. | | Deposit date: | 2009-08-28 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
Biochem.J., 424, 2009
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4PS0
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4EHF
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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5IBC
 | | Caspase 3 V266I | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4EHK
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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2CJY
 | | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | | Descriptor: | CASPASE-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE | | Authors: | Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G. | | Deposit date: | 2006-04-09 | | Release date: | 2006-06-27 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-Ray Structure Analysis
J.Mol.Biol., 359, 2006
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7RN9
 | | Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO | | Descriptor: | Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | McCue, W, Finzel, B.C. | | Deposit date: | 2021-07-29 | | Release date: | 2022-01-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
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2CNL
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Grutter, M.G, Powers, J.C. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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4QUB
 | | Caspase-3 K137A | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4EHN
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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2H5I
 | | Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho | | Descriptor: | Ac-DEV(ASJ), caspase-3, p12 subunit, ... | | Authors: | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | | Deposit date: | 2006-05-26 | | Release date: | 2006-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
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4EHA
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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1NMS
 | | Caspase-3 tethered to irreversible inhibitor | | Descriptor: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-10 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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4DCP
 | | Crystal Structure of caspase 3, L168F mutant | | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | | Deposit date: | 2012-01-18 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
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4DCO
 | | Crystal Structure of caspase 3, L168Y mutant | | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | | Deposit date: | 2012-01-18 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
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2CJX
 | | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | | Descriptor: | CASPASE-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE | | Authors: | Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G. | | Deposit date: | 2006-04-09 | | Release date: | 2006-06-27 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-Ray Structure Analysis
J.Mol.Biol., 359, 2006
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4DCJ
 | | Crystal structure of caspase 3, L168D mutant | | Descriptor: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Chung, S.J, Kang, H.J, Kim, S.J. | | Deposit date: | 2012-01-17 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
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2CDR
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Gruetter, M.G. | | Deposit date: | 2006-01-27 | | Release date: | 2007-03-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors.
Biochemistry, 45, 2006
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2CNN
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EXPOXIDE, Caspase-3 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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4PRY
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4QU8
 | | Caspase-3 M61A V266H | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ... | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.715 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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5IBR
 | | Caspase 3 V266K | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7RNB
 | | Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO | | Descriptor: | Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | McCue, W, Finzel, B.C. | | Deposit date: | 2021-07-29 | | Release date: | 2022-01-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
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2CNK
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 P12 SUBUNIT, CASPASE-3 P17 SUBUNIT | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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6BFK
 | | Caspase-3 Mutant- T245A | | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-26 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.753 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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